| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:29 UTC |
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| Update Date | 2025-03-25 00:50:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184127 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H21N7O2 |
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| Molecular Mass | 307.1757 |
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| SMILES | NC(CCCCNCCNc1ncnc2nc[nH]c12)C(=O)O |
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| InChI Key | LUIWFUIMCBUQOJ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | amino acidsamino fatty acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativesimidazolesimidolactamsmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspurines and purine derivativespyrimidines and pyrimidine derivativessecondary alkylarylamines |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidamino acidheterocyclic fatty acidfatty acidimidazopyrimidinepyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidimidolactamorganoheterocyclic compoundazolesecondary aliphatic amineazacycleheteroaromatic compoundsecondary amineamino fatty acidsecondary aliphatic/aromatic aminemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary aliphatic aminepurineorganic nitrogen compoundorganooxygen compoundamine |
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